| SpectraBase Compound ID | 6FZFL1jBsuC |
|---|---|
| InChI | InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3/b8-7-,11-10-,14-13-,17-16- |
| InChIKey | OFIDNKMQBYGNIW-ZKWNWVNESA-N |
| Mol Weight | 318.5 g/mol |
| Molecular Formula | C21H34O2 |
| Exact Mass | 318.25588 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7nTmWI777zM |
|---|---|
| Name | Methyl arachidonate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.255880333 u |
| Formula | C21H34O2 |
| InChI | InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3/b8-7-,11-10-,14-13-,17-16- |
| InChIKey | OFIDNKMQBYGNIW-ZKWNWVNESA-N |
| Molecular Weight | 318.501 g/mol |
| SMILES | C(\C=C/C\C=C/C\C=C/CCCCC)\C=C/CCCC(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.972242 |